1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,2-dimethylpropan-1-one

C11H15N3O — CID 71805746

IUPAC1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1Cc2cncnc2C1
InChIInChI=1S/C11H15N3O/c1-11(2,3)10(15)14-5-8-4-12-7-13-9(8)6-14/h4,7H,5-6H2,1-3H3
InChIKeyLJJQBPSLMZQJEY-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.36
Rot. Bonds

About 1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,2-dimethylpropan-1-one

1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,2-dimethylpropan-1-one (PubChem CID 71805746) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,2-dimethylpropan-1-one
PubChem CID71805746
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1Cc2cncnc2C1
InChIInChI=1S/C11H15N3O/c1-11(2,3)10(15)14-5-8-4-12-7-13-9(8)6-14/h4,7H,5-6H2,1-3H3
InChIKeyLJJQBPSLMZQJEY-UHFFFAOYSA-N
XLogP1.36
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5H-Pyrrolo(3,4-d)pyrimidin-5-one, 6,7-dihydro-6-methyl-2-(1-piperidinyl)-
CID 3078701
6-acetyl-2-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56745332
5H-Pyrrolo(3,4-d)pyrimidin-5-one, 6,7-dihydro-6-methyl-2-(1-pyrrolidinyl)-
CID 3078700
Tert-butyl 2-(methylthio)-5H-pyrrolo[3,4-D]pyrimidine-6(7H)-carboxylate
CID 18442822
tert-butyl 2-chloro-5H,6H,7H-pyrrolo(3,4-d)pyrimidine-6-carboxylate
CID 66570699
N-[2-(2-isobutyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]acetamide
CID 56738945
2-tert-butyl-6-(2-methoxy-2-methylpropanoyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56739967
N-[2-(2-ethyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-2-methylpropanamide
CID 56740037
N-[3-(2-ethyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-1-methyl-3-oxopropyl]acetamide
CID 56741666
2-ethyl-6-(methoxyacetyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56750850
1-(2-oxo-2-(5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)ethyl)pyrrolidine-2,5-dione
CID 71805766
1-(2,4-Diamino-5,7-dihydro-6h-pyrrolo[3,4-d]pyrimidin-6-yl)ethanone
CID 267677

Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,2-dimethylpropan-1-one (CID 71805746) is 1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1Cc2cncnc2C1.
What is the InChIKey of 1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,2-dimethylpropan-1-one?
The InChIKey is LJJQBPSLMZQJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-11(2,3)10(15)14-5-8-4-12-7-13-9(8)6-14/h4,7H,5-6H2,1-3H3.
What are the key properties of 1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,2-dimethylpropan-1-one?
1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,2-dimethylpropan-1-one has a molecular weight of 205.26 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 71805746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).